SCHEMBL23933291

SCHEMBL23933291

O=C(NC1CC1)[C@]12C[C@@H]3[CH][C@@H](C[C@@H](C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 1/20 0.42
CCR2 P41597 2/20 0.42
ALDH1A1 P00352 3/20 0.39
P2RX7 Q99572 1/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CRHBP P24387 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23933261 1.00 EPHX1 (0.53) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL28826584 0.85 EPHX1 (0.67) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL3183223 0.79 EPHX2 (0.60) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL3183232 0.79 EPHX2 (0.60) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL16064908 0.78 GAA (0.66) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL16064910 0.78 EPHX1 (0.63) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL7702219 0.77 GAA (0.69) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL2716740 0.75 EPHX1 (0.51) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL2718158 0.75 EPHX1 (0.51) EPHX1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL12218333 0.74 GAA (0.65) EPHX1GAAKMT2ASMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed